4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C30H24ClF3N8O2 — CID 78093616

About 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 78093616) has the molecular formula C30H24ClF3N8O2 and a molecular weight of 621.02 g/mol. Its IUPAC name is 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• PubChem CID: 78093616
• Molecular Formula: C30H24ClF3N8O2
• Molecular Weight: 621.02 g/mol
• Exact Mass: 620.17
• IUPAC Name: 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
• SMILES: Cc1nccn2c(C3CCCCN3C(=O)c3ccnc(Cl)n3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
• InChI: InChI=1S/C30H24ClF3N8O2/c1-17-25-24(18-5-7-19(8-6-18)27(43)39-23-16-20(9-11-36-23)30(32,33)34)40-26(42(25)15-13-35-17)22-4-2-3-14-41(22)28(44)21-10-12-37-29(31)38-21/h5-13,15-16,22H,2-4,14H2,1H3,(H,36,39,43)
• InChIKey: OLUUHZQNVQCTMO-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 118.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.02
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The IUPAC name of 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 78093616) is 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

What is the SMILES notation for 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The canonical SMILES for 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1nccn2c(C3CCCCN3C(=O)c3ccnc(Cl)n3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.

What is the InChIKey of 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

The InChIKey is OLUUHZQNVQCTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF3N8O2/c1-17-25-24(18-5-7-19(8-6-18)27(43)39-23-16-20(9-11-36-23)30(32,33)34)40-26(42(25)15-13-35-17)22-4-2-3-14-41(22)28(44)21-10-12-37-29(31)38-21/h5-13,15-16,22H,2-4,14H2,1H3,(H,36,39,43).

What are the key properties of 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?

4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 621.02 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2-chloropyrimidine-4-carbonyl)piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 78093616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).